SCHEMBL3729458

SCHEMBL3729458

CNC(=O)C(N[C@@H](CCc1ccc(C(F)(F)F)cc1)c1cccc(Cl)n1)c1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 4/20 0.42
HCRTR1 O43613 14/20 0.41
HCRTR2 O43614 14/20 0.41
MMP1 P03956 2/20 0.35
MMP13 P45452 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3729455 1.00 UTS2R (0.42) UTS2RHCRTR1HCRTR2MMP1MMP13
SCHEMBL3729454 1.00 UTS2R (0.42) UTS2RHCRTR1HCRTR2MMP1MMP13
SCHEMBL3729456 1.00 UTS2R (0.42) UTS2RHCRTR1HCRTR2MMP1MMP13
SCHEMBL3730202 0.94 UTS2R (0.44) UTS2RHCRTR1HCRTR2MMP1MMP13
SCHEMBL3730206 0.94 UTS2R (0.44) UTS2RHCRTR1HCRTR2MMP1MMP13
SCHEMBL3730207 0.94 UTS2R (0.44) UTS2RHCRTR1HCRTR2MMP1MMP13
SCHEMBL3730205 0.94 UTS2R (0.44) UTS2RHCRTR1HCRTR2MMP1MMP13
SCHEMBL3733769 0.93 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL3733768 0.93 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL3733775 0.93 HCRTR1 (0.46) HCRTR1HCRTR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114867-B1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-12-12 EP disclosed
US-7829563-B2 Aminoamides as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2010-11-09 US disclosed
US-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-09-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HCRTR1, HCRTR2, HRH3 UTS2R 221/4885HCRTR1 1/4885HCRTR2 2/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.